NOVOBIOCIN CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C31H35N2O11.Ca
Molecular Weight	1263.311
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=CC=C3C([O-])=C(NC(=O)C4=CC=C(O)C(CC=C(C)C)=C4)C(=O)OC3=C2C)OC1(C)C.CO[C@@H]5[C@@H](OC(N)=O)[C@@H](O)[C@H](OC6=CC=C7C([O-])=C(NC(=O)C8=CC=C(O)C(CC=C(C)C)=C8)C(=O)OC7=C6C)OC5(C)C

InChI

InChIKey=HEJBMFPJLCJWER-CWPVBXIBSA-L

InChI=1S/2C31H36N2O11.Ca/c2*1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h2*7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;;+2/p-2/t2*23-,25+,26-,29-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C31H35N2O11
Molecular Weight	611.6164
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:58:31 UTC 2023` Edited by `admin` on `Fri Dec 15 14:58:31 UTC 2023`
Record UNII	RHW5BU180N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NOVOBIOCIN CALCIUM

Common Name

English

BENZAMIDE, N-(7-((3-O-(AMINOCARBONYL)-6-DEOXY-5-C-METHYL-4-O-METHYL-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-4-HYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-4-HYDROXY-3-(3-METHYL-2-BUTENYL)-, CALCIUM SALT (2:1)

Common Name

English

CALCIUM NOVOBIOCIN

Common Name

English

Novobiocin calcium [WHO-DD]

Common Name

English

Novobiocin, calcium salt

Common Name

English

NOVOBIOCIN CALCIUM [MART.]

Common Name

English

BENZAMIDE, N-(7-((3-O-(AMINOCARBONYL)-6-DEOXY-5-C-METHYL-4-O-METHYL-.BETA.-L-LYXO-HEXOPYRANOSYL)OXY)-4-HYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-4-HYDROXY-3-(3-METHYL-2-BUTENYL)-, CALCIUM SALT (2:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258